Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.61 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2901914 | 1.00 | CYP1A2 (0.61) | CYP1A2HTTMAPK1LMNAMAPT | |
| Ammonia Solution, Strong SCHEMBL689616 | 0.97 | CYP1A2 (0.58) | CYP1A2HTTMAPK1LMNAMAPT | |
| SCHEMBL10485824 | 0.93 | CYP1A2 (0.54) | CYP1A2HTTMAPK1LMNAMAPT | |
| SCHEMBL10701936 | 0.93 | CYP1A2 (0.54) | CYP1A2HTTMAPK1LMNAMAPT | |
| SCHEMBL8219465 | 0.93 | CYP1A2 (0.54) | CYP1A2HTTMAPK1LMNAMAPT | |
| SCHEMBL10485828 | 0.93 | CYP1A2 (0.54) | CYP1A2HTTMAPK1LMNAMAPT | |
| SCHEMBL10974028 | 0.92 | CYP1A2 (0.52) | CYP1A2HTTMAPK1LMNAMAPT | |
| SCHEMBL3293288 | 0.92 | CYP1A2 (0.52) | CYP1A2HTTMAPK1LMNAMAPT | |
| SCHEMBL10772877 | 0.90 | CYP1A2 (0.50) | CYP1A2HTTMAPK1LMNAMAPT | |
| SCHEMBL19125970 | 0.90 | CYP1A2 (0.50) | CYP1A2HTTMAPK1LMNAMAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0107116-B1 | DICYANOBENZENES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1986-08-27 | — | — | EP | disclosed |